2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde

C24H36O5Si2 — CID 89476164

About 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde

2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde (PubChem CID 89476164) has the molecular formula C24H36O5Si2 and a molecular weight of 460.72 g/mol. Its IUPAC name is 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde.

Molecular Properties

• Compound Name: 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde
• PubChem CID: 89476164
• Molecular Formula: C24H36O5Si2
• Molecular Weight: 460.72 g/mol
• Exact Mass: 460.21
• IUPAC Name: 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde
• SMILES: COc1cc(CCC[Si](C)(C)O[Si](C)(C)CCCc2ccc(O)c(C=O)c2)ccc1O
• InChI: InChI=1S/C24H36O5Si2/c1-28-24-17-20(11-13-23(24)27)9-7-15-31(4,5)29-30(2,3)14-6-8-19-10-12-22(26)21(16-19)18-25/h10-13,16-18,26-27H,6-9,14-15H2,1-5H3
• InChIKey: YTLGWJIFLRSZIW-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 75.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.72
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde?

The IUPAC name of 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde (CID 89476164) is 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde.

What is the SMILES notation for 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde?

The canonical SMILES for 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde is COc1cc(CCC[Si](C)(C)O[Si](C)(C)CCCc2ccc(O)c(C=O)c2)ccc1O.

What is the InChIKey of 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde?

The InChIKey is YTLGWJIFLRSZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O5Si2/c1-28-24-17-20(11-13-23(24)27)9-7-15-31(4,5)29-30(2,3)14-6-8-19-10-12-22(26)21(16-19)18-25/h10-13,16-18,26-27H,6-9,14-15H2,1-5H3.

What are the key properties of 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde?

2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde has a molecular weight of 460.72 g/mol, XLogP of 5.91, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-5-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]benzaldehyde is sourced from PubChem (CID 89476164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).